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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 1, 2024
Adiabat-to-Diabat Angle in Seam Space: Renner-Teller-Type and Pseudo-Jahn-Teller-Type Problems
Benny Jun Chen, Ekadashi Pradhan, Marcel Nooijen, et al.
The Journal of Chemical Physics
|
February 25, 2012
Accurate thermochemistry from a parameterized coupled-cluster singles and doubles model and a local pair natural orbital based implementation for applications to larger systems
Lee M J Huntington, Andreas Hansen, Frank Neese, et al.
The Journal of Chemical Physics
|
May 3, 2018
Reference dependence of the two-determinant coupled-cluster method for triplet and open-shell singlet states of biradical molecules
Jesse J Lutz, Marcel Nooijen, Ajith Perera, et al.
The Journal of Chemical Physics
|
March 17, 2019
Comparison of multireference ab initio wavefunction methodologies for X-ray absorption edges: A case study on [Fe(II/III)Cl<sub>4</sub>]<sup>2-/1-</sup> molecules
Dimitrios Maganas, Joanna K Kowalska, Marcel Nooijen, et al.
The Journal of Chemical Physics
|
August 11, 2020
Explicitly correlated ab initio potential energy surface and predicted rovibrational spectra for H<sub>2</sub>O-N<sub>2</sub> and D<sub>2</sub>O-N<sub>2</sub> complexes
Lu Wang, Xiao-Long Zhang, Yu Zhai, et al.
The Journal of Chemical Physics
|
December 21, 2004
Combined coupled-cluster and many-body perturbation theories
So Hirata, Peng-Dong Fan, Alexander A Auer, et al.
Journal of Chemical Theory and Computation
|
June 6, 2020
A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods
Balázs Kozma, Attila Tajti, Baptiste Demoulin, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 9, 2012
Vibrationally resolved circular dichroism spectra of a molecule with isotopically engendered chirality
Na Lin, Harald Solheim, Kenneth Ruud, et al.
The Journal of Chemical Physics
|
March 5, 2014
Communication: multireference equation of motion coupled cluster: a transform and diagonalize approach to electronic structure
Marcel Nooijen, Ondřej Demel, Dipayan Datta, et al.
The Journal of Physical Chemistry. A
|
October 31, 2015
Raman Vibrational Shifts of Small Clusters of Hydrogen Isotopologues
Matthew Schmidt, José M Fernández, Nabil Faruk, et al.
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Showing results (31-40 of 42) with videos related to
Sort By:
Page
of 5
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 1, 2024
Adiabat-to-Diabat Angle in Seam Space: Renner-Teller-Type and Pseudo-Jahn-Teller-Type Problems
Benny Jun Chen, Ekadashi Pradhan, Marcel Nooijen, et al.
The Journal of Chemical Physics
|
February 25, 2012
Accurate thermochemistry from a parameterized coupled-cluster singles and doubles model and a local pair natural orbital based implementation for applications to larger systems
Lee M J Huntington, Andreas Hansen, Frank Neese, et al.
The Journal of Chemical Physics
|
May 3, 2018
Reference dependence of the two-determinant coupled-cluster method for triplet and open-shell singlet states of biradical molecules
Jesse J Lutz, Marcel Nooijen, Ajith Perera, et al.
The Journal of Chemical Physics
|
March 17, 2019
Comparison of multireference ab initio wavefunction methodologies for X-ray absorption edges: A case study on [Fe(II/III)Cl<sub>4</sub>]<sup>2-/1-</sup> molecules
Dimitrios Maganas, Joanna K Kowalska, Marcel Nooijen, et al.
The Journal of Chemical Physics
|
August 11, 2020
Explicitly correlated ab initio potential energy surface and predicted rovibrational spectra for H<sub>2</sub>O-N<sub>2</sub> and D<sub>2</sub>O-N<sub>2</sub> complexes
Lu Wang, Xiao-Long Zhang, Yu Zhai, et al.
The Journal of Chemical Physics
|
December 21, 2004
Combined coupled-cluster and many-body perturbation theories
So Hirata, Peng-Dong Fan, Alexander A Auer, et al.
Journal of Chemical Theory and Computation
|
June 6, 2020
A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods
Balázs Kozma, Attila Tajti, Baptiste Demoulin, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 9, 2012
Vibrationally resolved circular dichroism spectra of a molecule with isotopically engendered chirality
Na Lin, Harald Solheim, Kenneth Ruud, et al.
The Journal of Chemical Physics
|
March 5, 2014
Communication: multireference equation of motion coupled cluster: a transform and diagonalize approach to electronic structure
Marcel Nooijen, Ondřej Demel, Dipayan Datta, et al.
The Journal of Physical Chemistry. A
|
October 31, 2015
Raman Vibrational Shifts of Small Clusters of Hydrogen Isotopologues
Matthew Schmidt, José M Fernández, Nabil Faruk, et al.
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